#------------------------------------------------------------------------------
#$Date: 2017-12-20 19:39:04 +0200 (Wed, 20 Dec 2017) $
#$Revision: 204410 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/85/1548508.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1548508
loop_
_publ_author_name
'Lin Rong Er'
_publ_section_title
;
 Gold rectangle, silver rings and helices - A study of self-assembly and
 molecular recognition of metallo-supramolecules
;
_journal_name_full
'Ph.D Thesis - NATIONAL UNIVERSITY OF SINGAPORE'
_journal_page_first              1
_journal_year                    2005
_chemical_formula_sum            'C131 H127 Ag3 B3 F12 O5 P6'
_chemical_formula_weight         2551.19
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 111.148(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.7878(14)
_cell_length_b                   39.138(4)
_cell_length_c                   21.1625(17)
_cell_measurement_reflns_used    3912
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      18.42
_cell_measurement_theta_min      2.32
_cell_volume                     12195.7(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0968
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       45
_diffrn_reflns_limit_k_min       -46
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35625
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    0.627
_exptl_absorpt_correction_T_max  0.9173
_exptl_absorpt_correction_T_min  0.8341
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'Long Rod'
_exptl_crystal_F_000             5228
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.891
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.23(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1181
_refine_ls_number_reflns         17538
_refine_ls_number_restraints     108
_refine_ls_restrained_S_all      0.977
_refine_ls_R_factor_all          0.1134
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0897P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
_refine_ls_wR_factor_ref         0.1727
_reflns_number_gt                10956
_reflns_number_total             17538
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            complex4.cif
_cod_data_source_block           1310a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 5376 2017-05-30 11:51:03Z andrius 
;
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               1548508
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.05477(6) 0.89226(2) 0.52777(4) 0.0696(2) Uani 1 1 d . . .
Ag2 Ag 0.44917(6) 0.85104(2) 0.53011(4) 0.0714(2) Uani 1 1 d . . .
Ag3 Ag 0.37604(5) 0.88407(2) 0.89880(4) 0.0667(2) Uani 1 1 d . . .
P1 P -0.03844(17) 0.93818(6) 0.60650(11) 0.0526(6) Uani 1 1 d . . .
P2 P -0.03468(16) 0.84777(7) 0.45571(12) 0.0537(6) Uani 1 1 d . . .
P3 P 0.35456(17) 0.89086(7) 0.44794(12) 0.0535(6) Uani 1 1 d . . .
P4 P 0.50991(18) 0.81094(7) 0.62086(13) 0.0576(6) Uani 1 1 d . . .
P5 P 0.50435(17) 0.90378(7) 0.87150(13) 0.0601(7) Uani 1 1 d . . .
P6 P 0.22401(16) 0.86265(7) 0.87688(12) 0.0537(6) Uani 1 1 d . . .
C1 C 0.0246(6) 0.9229(2) 0.6926(4) 0.046(2) Uani 1 1 d . . .
C2 C 0.0006(6) 0.8885(2) 0.7065(4) 0.051(2) Uani 1 1 d . . .
C3 C -0.0830(6) 0.8719(3) 0.6628(4) 0.058(3) Uani 1 1 d . . .
H3A H -0.1220 0.8837 0.6246 0.070 Uiso 1 1 calc R . .
C4 C -0.1049(7) 0.8405(3) 0.6758(5) 0.070(3) Uani 1 1 d . . .
H4A H -0.1590 0.8303 0.6470 0.084 Uiso 1 1 calc R . .
C5 C -0.0493(7) 0.8232(3) 0.7308(6) 0.076(3) Uani 1 1 d . . .
H5A H -0.0655 0.8009 0.7385 0.091 Uiso 1 1 calc R . .
C6 C 0.0287(7) 0.8367(3) 0.7749(5) 0.070(3) Uani 1 1 d . . .
H6A H 0.0647 0.8239 0.8127 0.084 Uiso 1 1 calc R . .
C7 C 0.0565(6) 0.8708(2) 0.7642(5) 0.049(2) Uani 1 1 d . . .
C8 C 0.1349(6) 0.8859(2) 0.8097(4) 0.045(2) Uani 1 1 d . . .
C9 C 0.1496(6) 0.9218(2) 0.8025(4) 0.050(2) Uani 1 1 d . . .
C10 C 0.2172(7) 0.9402(3) 0.8547(5) 0.060(3) Uani 1 1 d . . .
H10A H 0.2525 0.9289 0.8947 0.072 Uiso 1 1 calc R . .
C11 C 0.2314(7) 0.9741(3) 0.8472(5) 0.068(3) Uani 1 1 d . . .
H11A H 0.2771 0.9859 0.8815 0.082 Uiso 1 1 calc R . .
C12 C 0.1771(8) 0.9912(3) 0.7878(5) 0.068(3) Uani 1 1 d . . .
H12A H 0.1869 1.0146 0.7826 0.082 Uiso 1 1 calc R . .
C13 C 0.1120(7) 0.9746(3) 0.7391(5) 0.058(3) Uani 1 1 d . . .
H13A H 0.0766 0.9867 0.7002 0.070 Uiso 1 1 calc R . .
C14 C 0.0942(6) 0.9396(3) 0.7435(4) 0.053(2) Uani 1 1 d . . .
C15 C 0.0665(6) 0.8571(2) 0.4354(4) 0.050(2) Uani 1 1 d . . .
C16 C 0.0786(6) 0.8922(3) 0.4221(4) 0.052(2) Uani 1 1 d . . .
C17 C 0.0093(7) 0.9169(3) 0.4081(5) 0.066(3) Uani 1 1 d . . .
H17A H -0.0480 0.9095 0.4066 0.079 Uiso 1 1 calc R . .
C18 C 0.0187(7) 0.9497(3) 0.3971(5) 0.072(3) Uani 1 1 d . . .
H18A H -0.0302 0.9649 0.3881 0.086 Uiso 1 1 calc R . .
C19 C 0.1058(8) 0.9612(3) 0.3992(6) 0.081(3) Uani 1 1 d . . .
H19A H 0.1154 0.9844 0.3923 0.097 Uiso 1 1 calc R . .
C20 C 0.1735(8) 0.9386(3) 0.4112(5) 0.072(3) Uani 1 1 d . . .
H20A H 0.2298 0.9467 0.4118 0.086 Uiso 1 1 calc R . .
C21 C 0.1658(6) 0.9037(2) 0.4229(4) 0.050(2) Uani 1 1 d . . .
C22 C 0.2362(6) 0.8794(3) 0.4305(4) 0.054(2) Uani 1 1 d . . .
C23 C 0.2169(6) 0.8444(2) 0.4288(4) 0.051(2) Uani 1 1 d . . .
C24 C 0.2748(7) 0.8191(3) 0.4192(5) 0.058(2) Uani 1 1 d . . .
H24A H 0.3286 0.8260 0.4135 0.070 Uiso 1 1 calc R . .
C25 C 0.2569(7) 0.7864(3) 0.4177(5) 0.069(3) Uani 1 1 d . . .
H25A H 0.2982 0.7705 0.4123 0.083 Uiso 1 1 calc R . .
C26 C 0.1767(7) 0.7754(3) 0.4243(6) 0.069(3) Uani 1 1 d . . .
H26A H 0.1652 0.7518 0.4242 0.083 Uiso 1 1 calc R . .
C27 C 0.1156(7) 0.7974(3) 0.4307(4) 0.057(2) Uani 1 1 d . . .
H27A H 0.0616 0.7891 0.4342 0.068 Uiso 1 1 calc R . .
C28 C 0.1306(6) 0.8323(2) 0.4324(4) 0.049(2) Uani 1 1 d . . .
C29 C 0.5307(6) 0.8333(2) 0.7019(4) 0.052(2) Uani 1 1 d . . .
C30 C 0.5641(6) 0.8656(3) 0.7066(5) 0.055(2) Uani 1 1 d . . .
C31 C 0.6041(7) 0.8793(3) 0.6603(5) 0.068(3) Uani 1 1 d . . .
H31A H 0.6080 0.8652 0.6254 0.082 Uiso 1 1 calc R . .
C32 C 0.6359(8) 0.9113(3) 0.6653(6) 0.081(3) Uani 1 1 d . . .
H32A H 0.6629 0.9186 0.6346 0.097 Uiso 1 1 calc R . .
C33 C 0.6309(8) 0.9340(3) 0.7132(6) 0.078(3) Uani 1 1 d . . .
H33A H 0.6490 0.9569 0.7132 0.093 Uiso 1 1 calc R . .
C34 C 0.5978(8) 0.9219(3) 0.7619(6) 0.085(4) Uani 1 1 d . . .
H34A H 0.5997 0.9365 0.7977 0.102 Uiso 1 1 calc R . .
C35 C 0.5612(6) 0.8885(3) 0.7599(5) 0.056(2) Uani 1 1 d . . .
C36 C 0.5299(6) 0.8761(3) 0.8084(5) 0.058(3) Uani 1 1 d . . .
C37 C 0.5137(6) 0.8413(3) 0.8121(5) 0.054(2) Uani 1 1 d . . .
C38 C 0.5028(7) 0.8261(3) 0.8712(5) 0.064(3) Uani 1 1 d . . .
H38A H 0.5053 0.8400 0.9081 0.077 Uiso 1 1 calc R . .
C39 C 0.4895(8) 0.7929(3) 0.8734(5) 0.075(3) Uani 1 1 d . . .
H39A H 0.4838 0.7837 0.9127 0.090 Uiso 1 1 calc R . .
C40 C 0.4838(7) 0.7715(3) 0.8220(6) 0.077(3) Uani 1 1 d . . .
H40A H 0.4721 0.7481 0.8251 0.092 Uiso 1 1 calc R . .
C41 C 0.4954(7) 0.7843(3) 0.7638(5) 0.064(3) Uani 1 1 d . . .
H41A H 0.4906 0.7693 0.7279 0.076 Uiso 1 1 calc R . .
C42 C 0.5141(6) 0.8192(3) 0.7580(5) 0.055(2) Uani 1 1 d . . .
C1A C -0.1401(4) 0.95788(17) 0.6091(4) 0.063(3) Uani 1 1 d G . .
C2A C -0.2199(5) 0.95432(19) 0.5531(3) 0.075(3) Uani 1 1 d G . .
H2AA H -0.2205 0.9410 0.5160 0.090 Uiso 1 1 calc R . .
C3A C -0.2988(4) 0.9705(2) 0.5520(4) 0.094(4) Uani 1 1 d G . .
H3AA H -0.3528 0.9681 0.5142 0.113 Uiso 1 1 calc R . .
C4A C -0.2980(5) 0.9902(2) 0.6069(5) 0.110(5) Uani 1 1 d G . .
H4AA H -0.3514 1.0011 0.6061 0.132 Uiso 1 1 calc R . .
C5A C -0.2182(6) 0.99373(19) 0.6628(4) 0.099(4) Uani 1 1 d G . .
H5AA H -0.2176 1.0071 0.6999 0.119 Uiso 1 1 calc R . .
C6A C -0.1393(5) 0.97759(18) 0.6639(3) 0.076(3) Uani 1 1 d G . .
H6AA H -0.0853 0.9800 0.7018 0.091 Uiso 1 1 calc R . .
C1B C 0.0228(5) 0.97224(16) 0.5835(4) 0.066(3) Uani 1 1 d G . .
C2B C 0.1089(5) 0.96557(18) 0.5826(4) 0.075(3) Uani 1 1 d G . .
H2BA H 0.1353 0.9439 0.5954 0.090 Uiso 1 1 calc R . .
C3B C 0.1557(5) 0.9909(3) 0.5627(5) 0.107(5) Uani 1 1 d G . .
H3BA H 0.2139 0.9864 0.5620 0.128 Uiso 1 1 calc R . .
C4B C 0.1166(7) 1.0229(2) 0.5437(5) 0.132(6) Uani 1 1 d G . .
H4BA H 0.1483 1.0400 0.5303 0.158 Uiso 1 1 calc R . .
C5B C 0.0305(7) 1.02956(16) 0.5447(5) 0.111(5) Uani 1 1 d G . .
H5BA H 0.0041 1.0512 0.5318 0.133 Uiso 1 1 calc R . .
C6B C -0.0163(5) 1.00423(19) 0.5645(4) 0.076(3) Uani 1 1 d G . .
H6BA H -0.0745 1.0087 0.5652 0.092 Uiso 1 1 calc R . .
C1C C -0.0222(4) 0.80910(15) 0.5043(3) 0.055(2) Uani 1 1 d G . .
C2C C -0.0740(4) 0.78005(18) 0.4789(3) 0.071(3) Uani 1 1 d G . .
H2CA H -0.1144 0.7795 0.4336 0.085 Uiso 1 1 calc R . .
C3C C -0.0661(5) 0.75180(15) 0.5205(4) 0.083(3) Uani 1 1 d G . .
H3CA H -0.1011 0.7322 0.5033 0.099 Uiso 1 1 calc R . .
C4C C -0.0064(6) 0.75260(19) 0.5874(4) 0.094(4) Uani 1 1 d G . .
H4CA H -0.0010 0.7335 0.6155 0.113 Uiso 1 1 calc R . .
C5C C 0.0454(5) 0.7816(2) 0.6128(3) 0.096(4) Uani 1 1 d G . .
H5CA H 0.0858 0.7822 0.6580 0.115 Uiso 1 1 calc R . .
C6C C 0.0375(4) 0.80990(18) 0.5712(3) 0.070(3) Uani 1 1 d G . .
H6CA H 0.0725 0.8295 0.5884 0.084 Uiso 1 1 calc R . .
C1D C -0.1239(4) 0.8409(2) 0.3744(3) 0.061(3) Uani 1 1 d G . .
C2D C -0.1067(5) 0.8342(3) 0.3156(4) 0.098(5) Uani 1 1 d G . .
H2DA H -0.0466 0.8317 0.3176 0.118 Uiso 1 1 calc R . .
C3D C -0.1784(7) 0.8311(3) 0.2540(3) 0.118(5) Uani 1 1 d G . .
H3DA H -0.1668 0.8265 0.2143 0.142 Uiso 1 1 calc R . .
C4D C -0.2673(6) 0.8347(3) 0.2511(4) 0.150(8) Uani 1 1 d G . .
H4DA H -0.3158 0.8326 0.2095 0.180 Uiso 1 1 calc R . .
C5D C -0.2845(4) 0.8414(3) 0.3099(6) 0.122(6) Uani 1 1 d G . .
H5DA H -0.3446 0.8439 0.3079 0.146 Uiso 1 1 calc R . .
C6D C -0.2128(5) 0.8446(2) 0.3715(4) 0.101(4) Uani 1 1 d G . .
H6DA H -0.2244 0.8491 0.4112 0.121 Uiso 1 1 calc R . .
C1E C 0.3653(5) 0.8939(2) 0.3658(3) 0.061(3) Uani 1 1 d G . .
C2E C 0.2901(4) 0.8953(2) 0.3059(4) 0.081(3) Uani 1 1 d G . .
H2EA H 0.2313 0.8959 0.3073 0.098 Uiso 1 1 calc R . .
C3E C 0.3019(6) 0.8958(3) 0.2439(3) 0.133(6) Uani 1 1 d G . .
H3EA H 0.2511 0.8967 0.2034 0.160 Uiso 1 1 calc R . .
C4E C 0.3889(8) 0.8949(3) 0.2418(4) 0.115(5) Uani 1 1 d G . .
H4EA H 0.3969 0.8952 0.1999 0.138 Uiso 1 1 calc R . .
C5E C 0.4640(6) 0.8935(2) 0.3017(5) 0.102(4) Uani 1 1 d G . .
H5EA H 0.5229 0.8929 0.3003 0.123 Uiso 1 1 calc R . .
C6E C 0.4522(4) 0.8930(2) 0.3637(4) 0.086(4) Uani 1 1 d G . .
H6EA H 0.5031 0.8920 0.4042 0.103 Uiso 1 1 calc R . .
C1F C 0.3830(4) 0.93222(15) 0.4888(3) 0.054(2) Uani 1 1 d G . .
C2F C 0.4077(5) 0.95960(19) 0.4573(3) 0.064(3) Uani 1 1 d G . .
H2FA H 0.4032 0.9578 0.4119 0.077 Uiso 1 1 calc R . .
C3F C 0.4390(6) 0.98970(15) 0.4929(4) 0.085(4) Uani 1 1 d G . .
H3FA H 0.4558 1.0082 0.4716 0.102 Uiso 1 1 calc R . .
C4F C 0.4457(6) 0.99243(17) 0.5600(4) 0.087(4) Uani 1 1 d G . .
H4FA H 0.4669 1.0128 0.5841 0.105 Uiso 1 1 calc R . .
C5F C 0.4210(6) 0.9650(2) 0.5915(3) 0.090(4) Uani 1 1 d G . .
H5FA H 0.4254 0.9669 0.6369 0.108 Uiso 1 1 calc R . .
C6F C 0.3896(5) 0.93494(19) 0.5559(3) 0.084(3) Uani 1 1 d G . .
H6FA H 0.3729 0.9164 0.5772 0.101 Uiso 1 1 calc R . .
C1G C 0.4285(5) 0.77672(17) 0.6080(3) 0.065(3) Uani 1 1 d G . .
C2G C 0.3418(5) 0.7852(2) 0.6054(4) 0.073(3) Uani 1 1 d G . .
H2GA H 0.3280 0.8080 0.6121 0.087 Uiso 1 1 calc R . .
C3G C 0.2756(4) 0.7601(3) 0.5930(4) 0.097(4) Uani 1 1 d G . .
H3GA H 0.2170 0.7659 0.5913 0.117 Uiso 1 1 calc R . .
C4G C 0.2961(6) 0.7264(3) 0.5832(4) 0.115(5) Uani 1 1 d G . .
H4GA H 0.2513 0.7094 0.5748 0.138 Uiso 1 1 calc R . .
C5G C 0.3827(7) 0.71791(16) 0.5857(4) 0.105(5) Uani 1 1 d G . .
H5GA H 0.3965 0.6951 0.5791 0.126 Uiso 1 1 calc R . .
C6G C 0.4489(5) 0.74306(19) 0.5981(4) 0.080(3) Uani 1 1 d G . .
H6GA H 0.5075 0.7373 0.5999 0.096 Uiso 1 1 calc R . .
C1H C 0.6175(4) 0.79099(18) 0.6286(4) 0.060(3) Uani 1 1 d G . .
C2H C 0.6395(5) 0.7887(2) 0.5708(3) 0.082(3) Uani 1 1 d G . .
H2HA H 0.6008 0.7983 0.5299 0.099 Uiso 1 1 calc R . .
C3H C 0.7187(6) 0.7722(2) 0.5736(4) 0.095(4) Uani 1 1 d G . .
H3HA H 0.7336 0.7707 0.5345 0.114 Uiso 1 1 calc R . .
C4H C 0.7759(5) 0.7580(2) 0.6341(5) 0.094(4) Uani 1 1 d G . .
H4HA H 0.8294 0.7468 0.6359 0.113 Uiso 1 1 calc R . .
C5H C 0.7539(5) 0.7602(2) 0.6919(4) 0.102(4) Uani 1 1 d G . .
H5HA H 0.7926 0.7506 0.7328 0.122 Uiso 1 1 calc R . .
C6H C 0.6747(5) 0.7767(2) 0.6892(3) 0.079(3) Uani 1 1 d G . .
H6HA H 0.6598 0.7783 0.7283 0.095 Uiso 1 1 calc R . .
C1I C 0.6093(4) 0.9093(3) 0.9413(4) 0.080(3) Uani 1 1 d G . .
C2I C 0.6933(6) 0.9064(3) 0.9345(4) 0.134(6) Uani 1 1 d G . .
H2IA H 0.6965 0.9014 0.8920 0.161 Uiso 1 1 calc R . .
C3I C 0.7726(4) 0.9110(4) 0.9905(6) 0.210(12) Uani 1 1 d G . .
H3IA H 0.8294 0.9090 0.9859 0.252 Uiso 1 1 calc R . .
C4I C 0.7678(6) 0.9184(4) 1.0533(5) 0.165(8) Uani 1 1 d G . .
H4IA H 0.8214 0.9215 1.0912 0.198 Uiso 1 1 calc R . .
C5I C 0.6838(8) 0.9213(3) 1.0602(4) 0.162(9) Uani 1 1 d G . .
H5IA H 0.6805 0.9263 1.1027 0.194 Uiso 1 1 calc R . .
C6I C 0.6045(6) 0.9168(3) 1.0042(4) 0.119(6) Uani 1 1 d G . .
H6IA H 0.5477 0.9187 1.0088 0.143 Uiso 1 1 calc R . .
C1J C 0.4709(6) 0.94570(18) 0.8342(4) 0.072(3) Uani 1 1 d G . .
C2J C 0.3938(5) 0.9477(2) 0.7758(4) 0.083(3) Uani 1 1 d G . .
H2JA H 0.3618 0.9278 0.7566 0.099 Uiso 1 1 calc R . .
C3J C 0.3642(5) 0.9792(3) 0.7457(4) 0.103(4) Uani 1 1 d G . .
H3JA H 0.3120 0.9806 0.7062 0.123 Uiso 1 1 calc R . .
C4J C 0.4116(8) 1.0088(2) 0.7741(6) 0.123(6) Uani 1 1 d G . .
H4JA H 0.3915 1.0301 0.7538 0.148 Uiso 1 1 calc R . .
C5J C 0.4887(8) 1.00675(18) 0.8326(6) 0.123(6) Uani 1 1 d G . .
H5JA H 0.5208 1.0267 0.8518 0.147 Uiso 1 1 calc R . .
C6J C 0.5184(5) 0.9752(2) 0.8627(4) 0.085(3) Uani 1 1 d G . .
H6JA H 0.5705 0.9739 0.9022 0.102 Uiso 1 1 calc R . .
C1K C 0.2281(5) 0.81983(16) 0.8478(3) 0.058(3) Uani 1 1 d G . .
C2K C 0.2473(5) 0.8155(2) 0.7892(3) 0.072(3) Uani 1 1 d G . .
H2KA H 0.2557 0.8347 0.7654 0.086 Uiso 1 1 calc R . .
C3K C 0.2540(6) 0.7828(3) 0.7657(4) 0.113(5) Uani 1 1 d G . .
H3KA H 0.2669 0.7799 0.7261 0.135 Uiso 1 1 calc R . .
C4K C 0.2415(6) 0.75445(19) 0.8009(6) 0.146(8) Uani 1 1 d G . .
H4KA H 0.2460 0.7323 0.7851 0.175 Uiso 1 1 calc R . .
C5K C 0.2223(6) 0.75877(17) 0.8596(5) 0.102(4) Uani 1 1 d G . .
H5KA H 0.2138 0.7396 0.8834 0.123 Uiso 1 1 calc R . .
C6K C 0.2156(5) 0.7915(2) 0.8830(3) 0.079(3) Uani 1 1 d G . .
H6KA H 0.2027 0.7944 0.9227 0.095 Uiso 1 1 calc R . .
C1L C 0.1835(5) 0.8594(2) 0.9469(3) 0.067(3) Uani 1 1 d G . .
C2L C 0.2431(5) 0.8466(2) 1.0080(4) 0.097(4) Uani 1 1 d G . .
H2LA H 0.3010 0.8389 1.0115 0.117 Uiso 1 1 calc R . .
C3L C 0.2170(7) 0.8451(3) 1.0641(3) 0.121(5) Uani 1 1 d G . .
H3LA H 0.2573 0.8365 1.1054 0.145 Uiso 1 1 calc R . .
C4L C 0.1313(8) 0.8564(3) 1.0589(4) 0.129(6) Uani 1 1 d G . .
H4LA H 0.1137 0.8555 1.0968 0.155 Uiso 1 1 calc R . .
C5L C 0.0717(6) 0.8692(3) 0.9978(5) 0.114(5) Uani 1 1 d G . .
H5LA H 0.0138 0.8769 0.9943 0.137 Uiso 1 1 calc R . .
C6L C 0.0978(5) 0.8707(2) 0.9417(3) 0.075(3) Uani 1 1 d G . .
H6LA H 0.0575 0.8793 0.9004 0.090 Uiso 1 1 calc R . .
B1 B 0.6733(10) 0.8694(6) 0.4828(7) 0.098(6) Uani 1 1 d . . .
F1 F 0.6721(6) 0.8952(2) 0.4371(4) 0.122(3) Uani 1 1 d . . .
F2 F 0.6196(8) 0.8806(3) 0.5179(5) 0.177(5) Uani 1 1 d . . .
F3 F 0.7589(6) 0.8642(3) 0.5239(5) 0.173(5) Uani 1 1 d . . .
F4 F 0.6358(6) 0.8416(3) 0.4453(4) 0.132(3) Uani 1 1 d . . .
B2 B 0.7499(10) 0.6221(3) 0.1390(7) 0.130(7) Uiso 1 1 d D . .
F5 F 0.7696(10) 0.5859(3) 0.1365(7) 0.128(5) Uiso 0.60 1 d PD A 1
F6 F 0.8076(12) 0.6326(5) 0.2011(8) 0.188(8) Uiso 0.60 1 d PD A 1
F7 F 0.6615(10) 0.6234(4) 0.1326(10) 0.178(7) Uiso 0.60 1 d PD A 1
F8 F 0.7699(15) 0.6364(5) 0.0873(9) 0.209(9) Uiso 0.60 1 d PD A 1
F5A F 0.7447(18) 0.6074(5) 0.1963(11) 0.157(9) Uiso 0.40 1 d PD A 2
F6A F 0.7301(14) 0.6585(4) 0.1474(10) 0.121(6) Uiso 0.40 1 d PD A 2
F7A F 0.6907(18) 0.6147(7) 0.0749(12) 0.206(14) Uiso 0.40 1 d PD A 2
F8A F 0.8379(13) 0.6238(6) 0.1410(15) 0.202(13) Uiso 0.40 1 d PD A 2
B3 B 0.5030(12) 0.8469(5) 0.0819(7) 0.190(15) Uani 1 1 d D . .
F9 F 0.4621(7) 0.8447(3) 0.0145(4) 0.145(3) Uani 1 1 d D . .
F11 F 0.4947(16) 0.8781(4) 0.1070(7) 0.269(10) Uani 1 1 d D . .
F12 F 0.4541(12) 0.8276(4) 0.1101(6) 0.217(7) Uani 1 1 d D . .
F10 F 0.5855(10) 0.8322(5) 0.1007(8) 0.269(9) Uani 1 1 d D . .
O1S O 0.0742(8) 0.8674(3) 0.2071(5) 0.125(3) Uiso 1 1 d D . .
O2S O 0.8281(17) 0.8694(6) 0.8587(12) 0.257(9) Uiso 1 1 d D . .
O3S O 0.9358(11) 0.7317(4) 0.8421(8) 0.182(5) Uiso 1 1 d D . .
O4S O -0.2396(13) 1.0373(5) 0.8092(11) 0.228(7) Uiso 1 1 d D . .
C1S C 0.1446(11) 0.8131(4) 0.2309(9) 0.146(6) Uiso 1 1 d D . .
H1SA H 0.1439 0.7913 0.2524 0.219 Uiso 1 1 calc R . .
H1SB H 0.2037 0.8237 0.2519 0.219 Uiso 1 1 calc R . .
H1SC H 0.1325 0.8095 0.1831 0.219 Uiso 1 1 calc R . .
C2S C 0.0734(11) 0.8357(3) 0.2390(8) 0.126(5) Uiso 1 1 d D . .
H2SA H 0.0136 0.8250 0.2186 0.151 Uiso 1 1 calc R . .
H2SB H 0.0852 0.8394 0.2872 0.151 Uiso 1 1 calc R . .
C3S C 0.0118(14) 0.8907(4) 0.2181(12) 0.171(8) Uiso 1 1 d D . .
H3SA H 0.0225 0.8915 0.2666 0.205 Uiso 1 1 calc R . .
H3SB H -0.0501 0.8823 0.1946 0.205 Uiso 1 1 calc R . .
C4S C 0.0198(17) 0.9263(5) 0.1937(12) 0.198(10) Uiso 1 1 d D . .
H4SA H -0.0232 0.9412 0.2033 0.298 Uiso 1 1 calc R . .
H4SB H 0.0067 0.9258 0.1453 0.298 Uiso 1 1 calc R . .
H4SC H 0.0809 0.9347 0.2168 0.298 Uiso 1 1 calc R . .
C5S C 0.903(2) 0.9332(6) 0.8418(16) 0.273(15) Uiso 1 1 d D . .
H5SA H 0.9096 0.9392 0.7992 0.410 Uiso 1 1 calc R . .
H5SB H 0.9624 0.9339 0.8779 0.410 Uiso 1 1 calc R . .
H5SC H 0.8630 0.9493 0.8515 0.410 Uiso 1 1 calc R . .
C6S C 0.8645(16) 0.8978(6) 0.8367(12) 0.177(8) Uiso 1 1 d D . .
H6SA H 0.8647 0.8903 0.7945 0.213 Uiso 1 1 calc R . .
C7S C 0.799(2) 0.8349(6) 0.8430(15) 0.254(14) Uiso 1 1 d D . .
H7SA H 0.8464 0.8210 0.8353 0.305 Uiso 1 1 calc R . .
H7SB H 0.7430 0.8334 0.8034 0.305 Uiso 1 1 calc R . .
C8S C 0.785(3) 0.8248(9) 0.9077(17) 0.34(2) Uiso 1 1 d D . .
H8SA H 0.7616 0.8017 0.9034 0.508 Uiso 1 1 calc R . .
H8SB H 0.7424 0.8404 0.9157 0.508 Uiso 1 1 calc R . .
H8SC H 0.8427 0.8259 0.9455 0.508 Uiso 1 1 calc R . .
C9S C 0.9866(15) 0.7742(5) 0.9270(11) 0.183(9) Uiso 1 1 d D . .
H9SA H 1.0316 0.7793 0.9713 0.275 Uiso 1 1 calc R . .
H9SB H 0.9266 0.7740 0.9299 0.275 Uiso 1 1 calc R . .
H9SC H 0.9889 0.7915 0.8949 0.275 Uiso 1 1 calc R . .
C10S C 1.0063(16) 0.7393(6) 0.9037(11) 0.228(11) Uiso 1 1 d D . .
H10B H 1.0648 0.7397 0.8973 0.273 Uiso 1 1 calc R . .
H10C H 1.0092 0.7219 0.9377 0.273 Uiso 1 1 calc R . .
C11S C 0.9518(19) 0.6984(5) 0.8232(13) 0.218(11) Uiso 1 1 d D . .
H11B H 0.8969 0.6844 0.8124 0.261 Uiso 1 1 calc R . .
H11C H 1.0007 0.6874 0.8604 0.261 Uiso 1 1 calc R . .
C12S C 0.978(2) 0.7019(7) 0.7622(13) 0.254(13) Uiso 1 1 d D . .
H12B H 0.9862 0.6794 0.7459 0.381 Uiso 1 1 calc R . .
H12C H 1.0348 0.7146 0.7743 0.381 Uiso 1 1 calc R . .
H12D H 0.9310 0.7141 0.7268 0.381 Uiso 1 1 calc R . .
C13S C -0.354(2) 1.0588(9) 0.7410(16) 0.280(16) Uiso 1 1 d D . .
H13B H -0.3873 1.0770 0.7115 0.420 Uiso 1 1 calc R . .
H13C H -0.3776 1.0551 0.7767 0.420 Uiso 1 1 calc R . .
H13D H -0.3597 1.0380 0.7149 0.420 Uiso 1 1 calc R . .
C14S C -0.253(2) 1.0687(8) 0.772(2) 0.38(3) Uiso 1 1 d D . .
H14A H -0.2223 1.0699 0.7398 0.460 Uiso 1 1 calc R . .
H14B H -0.2416 1.0892 0.8008 0.460 Uiso 1 1 calc R . .
C15S C -0.257(2) 1.0342(7) 0.8692(13) 0.261(14) Uiso 1 1 d D . .
H15A H -0.3225 1.0347 0.8600 0.313 Uiso 1 1 calc R . .
H15B H -0.2279 1.0526 0.9009 0.313 Uiso 1 1 calc R . .
C16S C -0.2174(18) 1.0001(6) 0.8975(13) 0.213(10) Uiso 1 1 d D . .
H16A H -0.2174 0.9977 0.9431 0.319 Uiso 1 1 calc R . .
H16B H -0.1556 0.9986 0.8985 0.319 Uiso 1 1 calc R . .
H16C H -0.2536 0.9820 0.8692 0.319 Uiso 1 1 calc R . .
O1W O 0.3886(7) 0.9211(3) 0.0160(5) 0.111(3) Uiso 1 1 d D . .
H1W H 0.434(7) 0.911(3) 0.062(3) 0.125 Uiso 1 1 d D . .
C1W C 0.3237(14) 0.9338(5) 0.0424(10) 0.165(7) Uiso 1 1 d . . .
H1WA H 0.2835 0.9498 0.0104 0.247 Uiso 1 1 calc R . .
H1WB H 0.3548 0.9454 0.0851 0.247 Uiso 1 1 calc R . .
H1WC H 0.2884 0.9150 0.0497 0.247 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P1 Ag1 P2 167.04(10) . .
P4 Ag2 P3 165.10(10) . .
P6 Ag3 P5 156.83(9) . .
C1A P1 C1B 105.1(3) . .
C1A P1 C1 106.3(4) . .
C1B P1 C1 110.9(4) . .
C1A P1 Ag1 117.9(3) . .
C1B P1 Ag1 107.3(3) . .
C1 P1 Ag1 109.2(3) . .
C1C P2 C1D 107.8(4) . .
C1C P2 C15 112.1(4) . .
C1D P2 C15 104.5(4) . .
C1C P2 Ag1 105.0(2) . .
C1D P2 Ag1 118.3(3) . .
C15 P2 Ag1 109.2(3) . .
C1E P3 C1F 107.9(3) . .
C1E P3 C22 105.4(4) . .
C1F P3 C22 112.0(4) . .
C1E P3 Ag2 119.1(3) . .
C1F P3 Ag2 104.5(2) . .
C22 P3 Ag2 108.1(3) . .
C1G P4 C1H 106.6(4) . .
C1G P4 C29 111.7(4) . .
C1H P4 C29 105.7(4) . .
C1G P4 Ag2 107.9(3) . .
C1H P4 Ag2 116.3(3) . .
C29 P4 Ag2 108.6(3) . .
C1I P5 C1J 106.7(5) . .
C1I P5 C36 106.6(4) . .
C1J P5 C36 108.5(4) . .
C1I P5 Ag3 116.5(3) . .
C1J P5 Ag3 104.7(3) . .
C36 P5 Ag3 113.5(3) . .
C1K P6 C1L 106.3(4) . .
C1K P6 C8 108.0(4) . .
C1L P6 C8 105.6(4) . .
C1K P6 Ag3 103.5(3) . .
C1L P6 Ag3 118.9(3) . .
C8 P6 Ag3 113.9(3) . .
C14 C1 C2 117.8(8) . .
C14 C1 P1 127.5(7) . .
C2 C1 P1 114.6(6) . .
C7 C2 C1 120.3(8) . .
C7 C2 C3 118.2(9) . .
C1 C2 C3 121.5(8) . .
C4 C3 C2 121.4(9) . .
C3 C4 C5 120.1(10) . .
C6 C5 C4 122.7(11) . .
C5 C6 C7 120.3(10) . .
C8 C7 C2 120.9(8) . .
C8 C7 C6 121.7(8) . .
C2 C7 C6 117.4(9) . .
C7 C8 C9 118.4(8) . .
C7 C8 P6 124.4(7) . .
C9 C8 P6 117.1(7) . .
C14 C9 C10 118.9(9) . .
C14 C9 C8 120.0(8) . .
C10 C9 C8 121.1(8) . .
C11 C10 C9 120.8(9) . .
C10 C11 C12 119.6(9) . .
C13 C12 C11 120.5(10) . .
C12 C13 C14 122.6(10) . .
C1 C14 C13 121.7(9) . .
C1 C14 C9 120.8(9) . .
C13 C14 C9 117.5(9) . .
C28 C15 C16 120.0(8) . .
C28 C15 P2 124.8(7) . .
C16 C15 P2 115.2(7) . .
C17 C16 C15 123.5(9) . .
C17 C16 C21 117.1(9) . .
C15 C16 C21 119.4(8) . .
C18 C17 C16 125.0(10) . .
C17 C18 C19 117.9(10) . .
C20 C19 C18 119.2(11) . .
C19 C20 C21 124.4(11) . .
C20 C21 C22 123.8(9) . .
C20 C21 C16 116.3(9) . .
C22 C21 C16 119.7(9) . .
C23 C22 C21 119.7(9) . .
C23 C22 P3 116.2(7) . .
C21 C22 P3 124.0(8) . .
C22 C23 C24 123.0(9) . .
C22 C23 C28 120.6(8) . .
C24 C23 C28 116.3(9) . .
C25 C24 C23 123.0(10) . .
C24 C25 C26 119.9(10) . .
C27 C26 C25 121.7(10) . .
C26 C27 C28 121.0(9) . .
C27 C28 C15 123.8(9) . .
C27 C28 C23 117.9(8) . .
C15 C28 C23 118.2(8) . .
C30 C29 C42 118.9(8) . .
C30 C29 P4 116.4(7) . .
C42 C29 P4 124.7(8) . .
C29 C30 C31 123.0(9) . .
C29 C30 C35 120.7(9) . .
C31 C30 C35 116.3(10) . .
C32 C31 C30 122.3(10) . .
C31 C32 C33 123.0(10) . .
C32 C33 C34 117.6(11) . .
C33 C34 C35 123.1(10) . .
C36 C35 C34 123.5(10) . .
C36 C35 C30 118.8(9) . .
C34 C35 C30 117.6(9) . .
C35 C36 C37 120.5(9) . .
C35 C36 P5 123.7(9) . .
C37 C36 P5 115.8(7) . .
C36 C37 C42 119.4(9) . .
C36 C37 C38 121.9(9) . .
C42 C37 C38 118.5(10) . .
C39 C38 C37 120.2(10) . .
C38 C39 C40 123.2(10) . .
C39 C40 C41 119.7(11) . .
C40 C41 C42 121.3(10) . .
C41 C42 C29 123.9(9) . .
C41 C42 C37 116.9(8) . .
C29 C42 C37 119.3(9) . .
C2A C1A C6A 120.0 . .
C2A C1A P1 118.4(4) . .
C6A C1A P1 121.6(4) . .
C3A C2A C1A 120.0 . .
C4A C3A C2A 120.0 . .
C3A C4A C5A 120.0 . .
C6A C5A C4A 120.0 . .
C5A C6A C1A 120.0 . .
C2B C1B C6B 120.0 . .
C2B C1B P1 119.0(4) . .
C6B C1B P1 121.0(4) . .
C1B C2B C3B 120.0 . .
C2B C3B C4B 120.0 . .
C5B C4B C3B 120.0 . .
C4B C5B C6B 120.0 . .
C5B C6B C1B 120.0 . .
C2C C1C C6C 120.0 . .
C2C C1C P2 122.6(4) . .
C6C C1C P2 117.2(4) . .
C3C C2C C1C 120.0 . .
C2C C3C C4C 120.0 . .
C5C C4C C3C 120.0 . .
C4C C5C C6C 120.0 . .
C5C C6C C1C 120.0 . .
C2D C1D C6D 120.0 . .
C2D C1D P2 122.9(5) . .
C6D C1D P2 117.0(5) . .
C3D C2D C1D 120.0 . .
C2D C3D C4D 120.0 . .
C3D C4D C5D 120.0 . .
C4D C5D C6D 120.0 . .
C5D C6D C1D 120.0 . .
C2E C1E C6E 120.0 . .
C2E C1E P3 122.2(4) . .
C6E C1E P3 117.7(4) . .
C1E C2E C3E 120.0 . .
C2E C3E C4E 120.0 . .
C5E C4E C3E 120.0 . .
C4E C5E C6E 120.0 . .
C5E C6E C1E 120.0 . .
C2F C1F C6F 120.0 . .
C2F C1F P3 121.6(4) . .
C6F C1F P3 118.0(4) . .
C1F C2F C3F 120.0 . .
C4F C3F C2F 120.0 . .
C3F C4F C5F 120.0 . .
C4F C5F C6F 120.0 . .
C5F C6F C1F 120.0 . .
C2G C1G C6G 120.0 . .
C2G C1G P4 117.7(5) . .
C6G C1G P4 122.3(5) . .
C1G C2G C3G 120.0 . .
C4G C3G C2G 120.0 . .
C5G C4G C3G 120.0 . .
C4G C5G C6G 120.0 . .
C5G C6G C1G 120.0 . .
C2H C1H C6H 120.0 . .
C2H C1H P4 117.9(4) . .
C6H C1H P4 122.0(4) . .
C3H C2H C1H 120.0 . .
C4H C3H C2H 120.0 . .
C3H C4H C5H 120.0 . .
C6H C5H C4H 120.0 . .
C5H C6H C1H 120.0 . .
C2I C1I C6I 120.0 . .
C2I C1I P5 122.5(5) . .
C6I C1I P5 117.5(5) . .
C3I C2I C1I 120.0 . .
C4I C3I C2I 120.0 . .
C3I C4I C5I 120.0 . .
C6I C5I C4I 120.0 . .
C5I C6I C1I 120.0 . .
C2J C1J C6J 120.0 . .
C2J C1J P5 117.5(6) . .
C6J C1J P5 122.5(6) . .
C3J C2J C1J 120.0 . .
C4J C3J C2J 120.0 . .
C3J C4J C5J 120.0 . .
C6J C5J C4J 120.0 . .
C5J C6J C1J 120.0 . .
C2K C1K C6K 120.0 . .
C2K C1K P6 117.8(5) . .
C6K C1K P6 122.2(5) . .
C1K C2K C3K 120.0 . .
C2K C3K C4K 120.0 . .
C5K C4K C3K 120.0 . .
C6K C5K C4K 120.0 . .
C5K C6K C1K 120.0 . .
C2L C1L C6L 120.0 . .
C2L C1L P6 117.7(4) . .
C6L C1L P6 122.2(4) . .
C3L C2L C1L 120.0 . .
C2L C3L C4L 120.0 . .
C3L C4L C5L 120.0 . .
C6L C5L C4L 120.0 . .
C5L C6L C1L 120.0 . .
F3 B1 F4 112.6(17) . .
F3 B1 F2 111.8(12) . .
F4 B1 F2 110.3(13) . .
F3 B1 F1 108.8(13) . .
F4 B1 F1 106.4(10) . .
F2 B1 F1 106.7(16) . .
F7 B2 F6 113.1(11) . .
F7 B2 F8 115.7(11) . .
F6 B2 F8 112.4(11) . .
F7 B2 F5A 73.5(13) . .
F6 B2 F5A 60.5(13) . .
F8 B2 F5A 170.7(15) . .
F7 B2 F7A 66.4(14) . .
F6 B2 F7A 174.6(16) . .
F8 B2 F7A 64.2(15) . .
F5A B2 F7A 123(2) . .
F7 B2 F8A 173.8(14) . .
F6 B2 F8A 68.9(13) . .
F8 B2 F8A 58.7(13) . .
F5A B2 F8A 112.0(12) . .
F7A B2 F8A 111.1(13) . .
F7 B2 F5 105.0(10) . .
F6 B2 F5 104.6(10) . .
F8 B2 F5 104.8(10) . .
F5A B2 F5 72.9(12) . .
F7A B2 F5 80.6(14) . .
F8A B2 F5 79.7(12) . .
F7 B2 F6A 73.8(11) . .
F6 B2 F6A 72.0(11) . .
F8 B2 F6A 79.7(12) . .
F5A B2 F6A 102.5(10) . .
F7A B2 F6A 102.9(11) . .
F8A B2 F6A 101.8(11) . .
F5 B2 F6A 175.3(12) . .
F9 B3 F10 109.3(13) . .
F9 B3 F11 113.4(13) . .
F10 B3 F11 119.3(19) . .
F9 B3 F12 107.4(14) . .
F10 B3 F12 105.9(16) . .
F11 B3 F12 100.2(16) . .
C2S O1S C3S 110.9(12) . .
C6S O2S C7S 144(3) . .
C10S O3S C11S 107.2(18) . .
C15S O4S C14S 122(3) . .
O1S C2S C1S 109.2(13) . .
O1S C3S C4S 112.8(17) . .
O2S C6S C5S 156(3) . .
O2S C7S C8S 100(2) . .
O3S C10S C9S 107.8(18) . .
O3S C11S C12S 107(2) . .
O4S C14S C13S 87(2) . .
O4S C15S C16S 104(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 P1 2.401(2) .
Ag1 P2 2.410(2) .
Ag2 P4 2.396(3) .
Ag2 P3 2.410(3) .
Ag3 P6 2.424(3) .
Ag3 P5 2.424(3) .
P1 C1A 1.799(6) .
P1 C1B 1.814(6) .
P1 C1 1.833(9) .
P2 C1C 1.800(6) .
P2 C1D 1.808(6) .
P2 C15 1.834(9) .
P3 C1E 1.811(6) .
P3 C1F 1.814(6) .
P3 C22 1.825(10) .
P4 C1G 1.808(7) .
P4 C1H 1.822(5) .
P4 C29 1.845(9) .
P5 C1I 1.791(7) .
P5 C1J 1.814(7) .
P5 C36 1.872(10) .
P6 C1K 1.794(6) .
P6 C1L 1.817(6) .
P6 C8 1.839(9) .
C1 C14 1.394(12) .
C1 C2 1.456(13) .
C2 C7 1.405(13) .
C2 C3 1.462(13) .
C3 C4 1.335(14) .
C4 C5 1.358(15) .
C5 C6 1.356(14) .
C6 C7 1.446(14) .
C7 C8 1.395(13) .
C8 C9 1.441(12) .
C9 C14 1.421(13) .
C9 C10 1.425(13) .
C10 C11 1.361(14) .
C11 C12 1.411(15) .
C12 C13 1.334(14) .
C13 C14 1.410(13) .
C15 C28 1.420(12) .
C15 C16 1.430(13) .
C16 C17 1.407(13) .
C16 C21 1.444(13) .
C17 C18 1.322(14) .
C18 C19 1.433(15) .
C19 C20 1.339(15) .
C20 C21 1.401(14) .
C21 C22 1.426(13) .
C22 C23 1.404(13) .
C23 C24 1.411(13) .
C23 C28 1.469(13) .
C24 C25 1.305(14) .
C25 C26 1.392(15) .
C26 C27 1.337(13) .
C27 C28 1.385(13) .
C29 C30 1.361(13) .
C29 C42 1.418(13) .
C30 C31 1.447(14) .
C30 C35 1.453(14) .
C31 C32 1.341(15) .
C32 C33 1.371(15) .
C33 C34 1.397(16) .
C34 C35 1.424(15) .
C35 C36 1.379(14) .
C36 C37 1.394(14) .
C37 C42 1.436(13) .
C37 C38 1.450(13) .
C38 C39 1.322(15) .
C39 C40 1.351(15) .
C40 C41 1.400(14) .
C41 C42 1.412(14) .
C1A C2A 1.3900 .
C1A C6A 1.3900 .
C2A C3A 1.3900 .
C3A C4A 1.3900 .
C4A C5A 1.3900 .
C5A C6A 1.3900 .
C1B C2B 1.3900 .
C1B C6B 1.3900 .
C2B C3B 1.3900 .
C3B C4B 1.3900 .
C4B C5B 1.3900 .
C5B C6B 1.3900 .
C1C C2C 1.3900 .
C1C C6C 1.3900 .
C2C C3C 1.3900 .
C3C C4C 1.3900 .
C4C C5C 1.3900 .
C5C C6C 1.3900 .
C1D C2D 1.3900 .
C1D C6D 1.3900 .
C2D C3D 1.3900 .
C3D C4D 1.3900 .
C4D C5D 1.3900 .
C5D C6D 1.3900 .
C1E C2E 1.3900 .
C1E C6E 1.3900 .
C2E C3E 1.3900 .
C3E C4E 1.3900 .
C4E C5E 1.3900 .
C5E C6E 1.3900 .
C1F C2F 1.3900 .
C1F C6F 1.3900 .
C2F C3F 1.3900 .
C3F C4F 1.3900 .
C4F C5F 1.3900 .
C5F C6F 1.3900 .
C1G C2G 1.3900 .
C1G C6G 1.3900 .
C2G C3G 1.3900 .
C3G C4G 1.3900 .
C4G C5G 1.3900 .
C5G C6G 1.3900 .
C1H C2H 1.3900 .
C1H C6H 1.3900 .
C2H C3H 1.3900 .
C3H C4H 1.3900 .
C4H C5H 1.3900 .
C5H C6H 1.3900 .
C1I C2I 1.3900 .
C1I C6I 1.3900 .
C2I C3I 1.3900 .
C3I C4I 1.3900 .
C4I C5I 1.3900 .
C5I C6I 1.3900 .
C1J C2J 1.3900 .
C1J C6J 1.3900 .
C2J C3J 1.3900 .
C3J C4J 1.3900 .
C4J C5J 1.3900 .
C5J C6J 1.3900 .
C1K C2K 1.3900 .
C1K C6K 1.3900 .
C2K C3K 1.3900 .
C3K C4K 1.3900 .
C4K C5K 1.3900 .
C5K C6K 1.3900 .
C1L C2L 1.3900 .
C1L C6L 1.3900 .
C2L C3L 1.3900 .
C3L C4L 1.3900 .
C4L C5L 1.3900 .
C5L C6L 1.3900 .
B1 F3 1.334(17) .
B1 F4 1.35(2) .
B1 F2 1.384(19) .
B1 F1 1.391(18) .
B2 F7 1.354(13) .
B2 F6 1.364(13) .
B2 F8 1.364(13) .
B2 F5A 1.371(14) .
B2 F7A 1.374(15) .
B2 F8A 1.376(14) .
B2 F5 1.459(13) .
B2 F6A 1.483(13) .
B3 F9 1.339(13) .
B3 F10 1.345(13) .
B3 F11 1.358(13) .
B3 F12 1.363(14) .
O1S C2S 1.413(9) .
O1S C3S 1.421(10) .
O2S C6S 1.404(10) .
O2S C7S 1.423(10) .
O3S C10S 1.407(10) .
O3S C11S 1.412(10) .
O4S C15S 1.399(10) .
O4S C14S 1.430(10) .
C1S C2S 1.490(9) .
C3S C4S 1.506(10) .
C5S C6S 1.505(10) .
C7S C8S 1.518(10) .
C9S C10S 1.520(10) .
C11S C12S 1.501(10) .
C13S C14S 1.530(10) .
C15S C16S 1.502(10) .
O1W C1W 1.42(2) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O1W H1W F11 1.054(11) 1.69(7) 2.650(19) 149(11) .
